morpholin-4-yl-[1-[5-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone

C25H22F3N5O2 — CID 118659780

IUPACmorpholin-4-yl-[1-[5-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone
SMILESO=C(c1ccc2c(c1)N(c1ncc(-c3cc(C(F)(F)F)ccn3)cn1)CC21CC1)N1CCOCC1
InChIInChI=1S/C25H22F3N5O2/c26-25(27,28)18-3-6-29-20(12-18)17-13-30-23(31-14-17)33-15-24(4-5-24)19-2-1-16(11-21(19)33)22(34)32-7-9-35-10-8-32/h1-3,6,11-14H,4-5,7-10,15H2
InChIKeyKNPMZXPALSLNGP-UHFFFAOYSA-N
MW481.48 g/mol
LogP4.21
Rot. Bonds3

About morpholin-4-yl-[1-[5-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone

morpholin-4-yl-[1-[5-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone (PubChem CID 118659780) has the molecular formula C25H22F3N5O2 and a molecular weight of 481.48 g/mol. Its IUPAC name is morpholin-4-yl-[1-[5-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-[5-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone
PubChem CID118659780
Molecular FormulaC25H22F3N5O2
Molecular Weight481.48 g/mol
Exact Mass481.17
IUPAC Namemorpholin-4-yl-[1-[5-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone
SMILESO=C(c1ccc2c(c1)N(c1ncc(-c3cc(C(F)(F)F)ccn3)cn1)CC21CC1)N1CCOCC1
InChIInChI=1S/C25H22F3N5O2/c26-25(27,28)18-3-6-29-20(12-18)17-13-30-23(31-14-17)33-15-24(4-5-24)19-2-1-16(11-21(19)33)22(34)32-7-9-35-10-8-32/h1-3,6,11-14H,4-5,7-10,15H2
InChIKeyKNPMZXPALSLNGP-UHFFFAOYSA-N
XLogP4.21
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-Difluorophenyl)-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341389
[4-[6-Amino-5-[6-(trifluoromethyl)-3-pyridyl]-3-pyridyl]phenyl]-morpholino-methanone
CID 71457442
N-(cyanomethyl)-4-(2-(4-morpholino-3-(trifluoromethyl)phenylamino)pyrimidin-4-yl)benzamide
CID 25059891
4-methyl-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3-[[(E)-3-pyrimidin-5-ylprop-2-enoyl]amino]benzamide
CID 49803357
{4-[4-(2-Amino-pyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidin-7-yl]-3-fluoro-phenyl}-morpholin-4-yl-methanone
CID 59244360
[3-[4-(2-Aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 59244527
N-methyl-2-[[2-(6-morpholin-4-ylpyridin-3-yl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]benzamide
CID 71272361
N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-4-[[4-phenyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 127029264
N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-4-[[4-pyridin-3-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 127029265
3,3-Dimethyl-6-(2-methylpyrimidin-5-YL)-1-(6-morpholinopyrazin-2-YL)indolin-2-one
CID 129104129
3,3-Dimethyl-6-(2-methylpyrimidin-5-yl)-1-(5-morpholin-4-yl-3-pyridinyl)indol-2-one
CID 129104140
3,3-Dimethyl-6-(2-methylpyrimidin-5-yl)-1-(4-morpholin-4-ylpyrimidin-2-yl)indol-2-one
CID 129104149

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-[5-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-[5-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone (CID 118659780) is morpholin-4-yl-[1-[5-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-[5-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-[5-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone is O=C(c1ccc2c(c1)N(c1ncc(-c3cc(C(F)(F)F)ccn3)cn1)CC21CC1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-[5-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone?
The InChIKey is KNPMZXPALSLNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O2/c26-25(27,28)18-3-6-29-20(12-18)17-13-30-23(31-14-17)33-15-24(4-5-24)19-2-1-16(11-21(19)33)22(34)32-7-9-35-10-8-32/h1-3,6,11-14H,4-5,7-10,15H2.
What are the key properties of morpholin-4-yl-[1-[5-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone?
morpholin-4-yl-[1-[5-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone has a molecular weight of 481.48 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-[5-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methanone is sourced from PubChem (CID 118659780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).